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Mono(4-oxopentyl)phthalate-[d4]

General Information
Catalog: BLP-004781
CAS: 1346599-47-0
Molecular Formula: C13H10D4O5
Molecular Weight: 254.27
Chemical Structure
Mono(4-oxopentyl)phthalate-[d4]
Synonyms Mono(4-oxopentyl)phthalate D4; 1,2-(Benzene-d4)dicarboxylic Acid Mono-4-oxopentyl Ester
IUPAC Name 2,3,4,5-tetradeuterio-6-(4-oxopentoxycarbonyl)benzoic acid
Related CAS 1334311-47-5 (unlabelled)
Canonical SMILES CC(=O)CCCOC(=O)C1=CC=CC=C1C(=O)O
InChI InChI=1S/C13H14O5/c1-9(14)5-4-8-18-13(17)11-7-3-2-6-10(11)12(15)16/h2-3,6-7H,4-5,8H2,1H3,(H,15,16)/i2D,3D,6D,7D
InChI Key PONNZCAISKYXCO-USSMZTJJSA-N
Purity >98%

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